BDBM50090309 CHEMBL42514::N-[3-(4-Cyano-4-o-tolyl-piperidin-1-yl)-propyl]-2-(3-fluoro-phenyl)-3-methyl-butyramide

SMILES: CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1cccc(F)c1

InChI Key: InChIKey=IDZICZAULARHJJ-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50090309   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50090309 (CHEMBL42514 | N-[3-(4-Cyano-4-o-tolyl-piperidin-1-...) Show SMILES CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1cccc(F)c1 Show InChI InChI=1S/C27H34FN3O/c1-20(2)25(22-9-6-10-23(28)18-22)26(32)30-14-7-15-31-16-12-27(19-29,13-17-31)24-11-5-4-8-21(24)3/h4-6,8-11,18,20,25H,7,12-17H2,1-3H3,(H,30,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.				Bioorg Med Chem Lett 10: 1621-4 (2000) BindingDB Entry DOI: 10.7270/Q27W6BDJ
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50090309 (CHEMBL42514 | N-[3-(4-Cyano-4-o-tolyl-piperidin-1-...) Show SMILES CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1cccc(F)c1 Show InChI InChI=1S/C27H34FN3O/c1-20(2)25(22-9-6-10-23(28)18-22)26(32)30-14-7-15-31-16-12-27(19-29,13-17-31)24-11-5-4-8-21(24)3/h4-6,8-11,18,20,25H,7,12-17H2,1-3H3,(H,30,32)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-HEAT to cloned human alpha-1B adrenergic receptor.				Bioorg Med Chem Lett 10: 1621-4 (2000) BindingDB Entry DOI: 10.7270/Q27W6BDJ
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50090309 (CHEMBL42514 | N-[3-(4-Cyano-4-o-tolyl-piperidin-1-...) Show SMILES CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1cccc(F)c1 Show InChI InChI=1S/C27H34FN3O/c1-20(2)25(22-9-6-10-23(28)18-22)26(32)30-14-7-15-31-16-12-27(19-29,13-17-31)24-11-5-4-8-21(24)3/h4-6,8-11,18,20,25H,7,12-17H2,1-3H3,(H,30,32)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-HEAT to cloned human alpha-1D adrenergic receptor.				Bioorg Med Chem Lett 10: 1621-4 (2000) BindingDB Entry DOI: 10.7270/Q27W6BDJ
					More data for this Ligand-Target Pair